1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone
TL;DR: 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone (CAS 105644-17-5) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)ethanone
Also Known As: 1-Oxo Colterol, 2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)ethanone, 2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)ethan-1-one, 3,4-dihydroxyphenyl N-(tert-butyl)aminomethyl ketone, Ethanone, 1-(3,4-dihydroxyphenyl)-2-[(1,1-dimethylethyl)amino]-
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 1.6686 |
| Topological Polar Surface Area | 69.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 393.7406 |
Chemical Identifiers
| CAS Number | 105644-17-5 |
|---|---|
| SMILES | CC(C)(C)NCC(=O)C1=CC(=C(C=C1)O)O |
Product Overview
1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone (CAS 105644-17-5), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: 2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)ethanone.
Chemical Property Profile of 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone
Property Insights of 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone
The XLogP value of 1.6686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone. The TPSA of 69.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone. Following Lipinski's Rule of Five, 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone?
The CAS number of 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone is 105644-17-5.
What is the molecular formula of 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone?
The molecular formula of 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone is C12H17NO3.
What is the molecular weight of 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone?
The molecular weight of 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone is 223.12 g/mol.
Where can I buy 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone?
You can request a quote for 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.